Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (CDB003098)
Spectrum Details
| CDB ID: | CDB003098 |
|---|---|
| Compound Name: | PE-NMe2(18:1(11Z)/18:1(11Z)) |
| Derivative IUPAC Name: | 1-({[2-(dimethylamino)ethoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate |
| Derivative SMILES: | CCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(OCCN(C)C)O[Si](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC |
| Derivative InChIKey: | InChIKey=SQEITCPKVYGBMP-AUYXYSRINA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C43H82NO8P |
| Molecular Weight (Monoisotopic Mass): | 771.5778 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References